REMARK Name = BDB005751 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.961 -0.131 0.464 0.00 0.00 +0.199 A ATOM 2 N LIG 1 0.599 0.050 0.631 0.00 0.00 -0.310 N ATOM 3 C LIG 1 0.344 1.414 0.574 0.00 0.00 +0.096 A ATOM 4 C LIG 1 1.605 1.971 0.351 0.00 0.00 +0.095 A ATOM 5 C LIG 1 1.767 3.345 0.194 0.00 0.00 +0.061 A ATOM 6 C LIG 1 0.610 4.088 0.275 0.00 0.00 +0.112 A ATOM 7 N LIG 1 -0.626 3.579 0.513 0.00 0.00 -0.241 NA ATOM 8 C LIG 1 -0.785 2.238 0.683 0.00 0.00 +0.099 A ATOM 9 N LIG 1 2.579 1.017 0.336 0.00 0.00 -0.214 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 0.661 5.550 0.112 0.00 0.00 +0.201 A ATOM 11 N LIG 1 -0.472 6.257 0.207 0.00 0.00 -0.270 N ATOM 12 H LIG 1 -1.395 5.897 0.386 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -0.144 7.542 0.021 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -0.912 8.491 0.035 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 1.212 7.616 -0.192 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 1.706 6.272 -0.123 0.00 0.00 -0.053 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C LIG 1 -2.142 1.819 0.984 0.00 0.00 +0.022 A ATOM 18 C LIG 1 -3.128 1.759 -0.009 0.00 0.00 +0.033 A ATOM 19 C LIG 1 -4.423 1.375 0.325 0.00 0.00 +0.060 A ATOM 20 CL LIG 1 -5.639 1.270 -0.882 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 -4.704 1.069 1.647 0.00 0.00 +0.130 A ATOM 22 N LIG 1 -3.787 1.131 2.642 0.00 0.00 -0.261 NA ATOM 23 C LIG 1 -2.538 1.520 2.288 0.00 0.00 +0.120 A ENDBRANCH 8 17 BRANCH 1 24 ATOM 24 N LIG 1 2.543 -1.366 0.490 0.00 0.00 -0.299 N BRANCH 24 25 ATOM 25 C LIG 1 3.637 -1.490 1.483 0.00 0.00 +0.108 C BRANCH 25 27 ATOM 26 C LIG 1 2.485 -3.162 3.007 0.00 0.00 +0.005 C ATOM 27 C LIG 1 3.083 -1.766 2.884 0.00 0.00 +0.016 C ENDBRANCH 25 27 ENDBRANCH 24 25 BRANCH 24 28 ATOM 28 C LIG 1 2.930 -1.886 -0.857 0.00 0.00 +0.136 C BRANCH 28 29 ATOM 29 C LIG 1 3.924 -1.006 -1.636 0.00 0.00 +0.178 C BRANCH 29 30 ATOM 30 O LIG 1 3.205 -0.144 -2.528 0.00 0.00 -0.381 OA ATOM 31 C LIG 1 4.039 0.881 -3.047 0.00 0.00 +0.194 C ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 24 28 ENDBRANCH 1 24 BRANCH 2 32 ATOM 32 C LIG 1 -0.340 -1.017 0.927 0.00 0.00 +0.128 C BRANCH 32 33 ATOM 33 C LIG 1 -0.693 -1.969 -0.233 0.00 0.00 +0.009 C ATOM 34 C LIG 1 -1.089 -1.215 -1.515 0.00 0.00 +0.005 C ATOM 35 C LIG 1 -1.973 -2.067 -2.416 0.00 0.00 +0.003 C ATOM 36 C LIG 1 -3.312 -2.394 -1.734 0.00 0.00 -0.014 C ATOM 37 C LIG 1 -3.934 -3.640 -2.368 0.00 0.00 +0.007 C ATOM 38 C LIG 1 -3.177 -2.548 -0.208 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -1.775 -2.981 0.207 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 10